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Sugi Predict / Compounds / SCHEMBL2015653

SCHEMBL2015653

SCHEMBL2015653

O=C(NCc1ccccc1)C1CCC(c2ccc(F)cc2)N(S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ ALDH1A1 P00352 5/20 0.52
▸ TSHR P16473 2/20 0.52
▸ POLB P06746 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ GLA P06280 1/20 0.49
▸ PKM P14618 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12628292 1.00 KMT2A (0.55) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL2012438 0.96 KMT2A (0.53) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL12628961 0.96 KMT2A (0.53) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL12628174 0.96 KMT2A (0.58) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL2010853 0.96 KMT2A (0.58) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL12628159 0.92 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1PKM
SCHEMBL2011504 0.92 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1PKM
SCHEMBL12628946 0.90 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL2015115 0.90 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL12628947 0.89 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1TSHRPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011073269-A1 PIPERIDINE ARYL SULFONAMIDE DERIVATIVES AS KV1.3 MODULATORS EVOTEC AG (DE) 2011-06-23 — — WO claimed